Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744492e+01 -3.744578235744470e+01 1.000000000000000e-04 -2.202682480856311e-13 PASS
Benzene Energy [step 20] -3.744529289078145e+01 -3.744529289078146e+01 1.000000000000000e-04 1.421085471520200e-14 PASS
Benzene Multipoles [step 0] -1.438494034947979e-14 0.000000000000000e+00 1.000000000000000e-10 -1.438494034947979e-14 PASS
Benzene Multipoles [step 20] -9.520492016904644e-04 -9.520492016606303e-04 1.000000000000000e-07 -2.983409960050087e-14 PASS
Compare to other inputs